2-[[4-(4-methylpentan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-methylpentan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1,3-dimethylbutyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-methylpentan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-methylpentan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1,3-dimethylbutyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H23N3O2S MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1C(=NN=C1SCC(=O)O)C(C)C

Isomeric SMILES

CC(C)CC(C)N1C(=NN=C1SCC(=O)O)C(C)C

InChI

InChI=1S/C13H23N3O2S/c1-8(2)6-10(5)16-12(9(3)4)14-15-13(16)19-7-11(17)18/h8-10H,6-7H2,1-5H3,(H,17,18)